- InChI
- InChI=1S/C22H30O4/c1-4-15-25-20(23)22(2,3)21(24)26-19(18-13-9-6-10-14-18)16-17-11-7-5-8-12-17/h6-7,9-11,13-14,17,19H,4-5,8,12,15-16H2,1-3H3
- InChI Key
- QEDJNZDPFQOXKW-UHFFFAOYSA-N
- Formula
- C22H30O4
- SMILES
-
CCCOC(=O)C(C)(C)C(=O)OC(CC1C=C
CCC1)c1ccccc1 - Molecular Weight1
- 358.47
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -166.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -652.41 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.19 | kJ/mol | Joback Calculated Property |
| log10WS | -5.58 | Crippen Calculated Property | |
| logPoct/wat | 4.997 | Crippen Calculated Property | |
| McVol | 296.800 | ml/mol | McGowan Calculated Property |
| Pc | 1435.89 | kPa | Joback Calculated Property |
| Inp | 2315.00 | NIST | |
| Tboil | 897.06 | K | Joback Calculated Property |
| Tc | 1124.04 | K | Joback Calculated Property |
| Tfus | 504.00 | K | Joback Calculated Property |
| Vc | 1.109 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [964.66; 1043.62] | J/mol×K | [897.06; 1124.04] | 
|
| Cp,gas | 964.66 | J/mol×K | 897.06 | Joback Calculated Property |
| Cp,gas | 981.38 | J/mol×K | 934.89 | Joback Calculated Property |
| Cp,gas | 996.57 | J/mol×K | 972.72 | Joback Calculated Property |
| Cp,gas | 1010.32 | J/mol×K | 1010.55 | Joback Calculated Property |
| Cp,gas | 1022.69 | J/mol×K | 1048.38 | Joback Calculated Property |
| Cp,gas | 1033.76 | J/mol×K | 1086.21 | Joback Calculated Property |
| Cp,gas | 1043.62 | J/mol×K | 1124.04 | Joback Calculated Property |
| η | [0.0000323; 0.0006527] | Pa×s | [504.00; 897.06] |
|
| η | 0.0006527 | Pa×s | 504.00 | Joback Calculated Property |
| η | 0.0002964 | Pa×s | 569.51 | Joback Calculated Property |
| η | 0.0001584 | Pa×s | 635.02 | Joback Calculated Property |
| η | 0.0000952 | Pa×s | 700.53 | Joback Calculated Property |
| η | 0.0000624 | Pa×s | 766.04 | Joback Calculated Property |
| η | 0.0000437 | Pa×s | 831.55 | Joback Calculated Property |
| η | 0.0000323 | Pa×s | 897.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, 1-phenyl-2-(cyclohex-2-enyl)ethyl propyl ester.
Sources
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